Information card for entry 7027499

Structure parameters

• Chemical name: tris(dimethylamino)phosphane-borane
• Formula: C6 H21 B N3 P
• Calculated formula: C6 H21 B N3 P
• SMILES: [P]([BH3])(N(C)C)(N(C)C)N(C)C
• Title of publication: The molecular and crystal structures of the tris(dimethylamino)phosphoranes (Me2N)3P‒X (X = BH3, CH2, NH or O)
• Authors of publication: Mitzel, Norbert W.; Lustig, Christian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3177
• a: 12.996 ± 0.002 Å
• b: 11.174 ± 0.001 Å
• c: 7.679 ± 0.001 Å
• α: 90°
• β: 96.29 ± 0.01°
• γ: 90°
• Cell volume: 1108.4 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0543
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No